CID 10774934

2-(2-bromophenyl)propanal

Structural Information

Molecular Formula
C9H9BrO
SMILES
CC(C=O)C1=CC=CC=C1Br
InChI
InChI=1S/C9H9BrO/c1-7(6-11)8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey
HTKTXCAKKKTRSF-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

211.98367 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 135.0
[M+Na]+ 234.97289 139.1
[M+NH4]+ 230.01749 140.5
[M+K]+ 250.94683 138.7
[M-H]- 210.97639 136.0
[M+Na-2H]- 232.95834 139.4
[M]+ 211.98312 134.7
[M]- 211.98422 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe